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Atomistically informed melting models for aluminum nanocrystals

Mathur, Nilkumar; Mane, Tejas; Sundaram, Dilip (Elsevier, 2019-01)

Atomistically informed analysis of melting is conducted to predict equilibrium melting points of aluminum nanocrystals in the size range 2–10 nm. Spherical and cubic nanocrystals and planar films are considered. Relevant ...
Energy accommodation under non-equilibrium conditions for aluminum-inert gas systems

Mane, Tejas; Bhat, Pooja; Sundaram, Dilip Srinivas; Yang, Vigor (Elsevier, 2018-06)

Molecular dynamics (MD) simulations are conducted to determine non-equilibrium energy accommodation coefficients for aluminum-inert gas systems for a surface temperature of 300 K and gas temperatures in the range of 1000-3000 ...
Size effect on melting temperatures of alumina nanocrystals: Molecular dynamics simulations and thermodynamic modeling

Joshi, Nikhil; Mathur, Nilkumar; Mane, Tejas; Sundaram, Dilip (Elsevier, 2018-04)

Molecular dynamics (MD) simulations and thermodynamic analysis are conducted to investigate size effect on melting point of alumina nanocrystals. Different geometries including spherical and cubic particles, planar thin ...

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